5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol

C14H23F2N3O — CID 54367926

IUPAC5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol
SMILESCC(C1CCCCC1)C(C(O)C(C)(F)F)n1cncn1
InChIInChI=1S/C14H23F2N3O/c1-10(11-6-4-3-5-7-11)12(13(20)14(2,15)16)19-9-17-8-18-19/h8-13,20H,3-7H2,1-2H3
InChIKeyURBYSSHPGFRZPR-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.05
Rot. Bonds5

About 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol

5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol (PubChem CID 54367926) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol
PubChem CID54367926
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol
SMILESCC(C1CCCCC1)C(C(O)C(C)(F)F)n1cncn1
InChIInChI=1S/C14H23F2N3O/c1-10(11-6-4-3-5-7-11)12(13(20)14(2,15)16)19-9-17-8-18-19/h8-13,20H,3-7H2,1-2H3
InChIKeyURBYSSHPGFRZPR-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol?
The IUPAC name of 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol (CID 54367926) is 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol.
What is the SMILES notation for 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol?
The canonical SMILES for 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol is CC(C1CCCCC1)C(C(O)C(C)(F)F)n1cncn1.
What is the InChIKey of 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol?
The InChIKey is URBYSSHPGFRZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-10(11-6-4-3-5-7-11)12(13(20)14(2,15)16)19-9-17-8-18-19/h8-13,20H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol?
5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol has a molecular weight of 287.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol is sourced from PubChem (CID 54367926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).